%chk=000191458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191458

0 1
S 2.964713 -2.142305 2.418379
O -2.051744 2.406809 -0.887404
O -0.445496 0.213730 0.980547
N -3.396049 0.107587 -2.021571
C -2.445935 1.305866 -0.021951
C -2.526132 -0.008311 -0.820434
C -1.369306 1.324234 1.072472
C -2.966353 1.262591 -2.858187
C -2.883088 2.570257 -2.056509
C 0.683243 0.339986 0.189652
C 1.698199 -0.611910 0.476036
C 0.822284 1.287473 -0.830481
C 1.548166 -1.577716 1.543657
C 2.855272 -0.580175 -0.320770
C 1.992353 1.295773 -1.589788
C 3.005361 0.364725 -1.338674
C 0.431243 -2.174084 2.053206
C 0.707049 -3.092707 3.134264
C 2.026460 -3.189328 3.447461
H -3.436981 1.574760 0.409728
H -1.506765 -0.314243 -1.157940
H -2.892405 -0.836309 -0.178698
H -1.805506 1.136864 2.073911
H -0.823344 2.287795 1.074887
H -3.663486 1.365349 -3.715513
H -1.968245 1.017315 -3.289920
H -2.352905 3.371691 -2.601772
H -3.873841 2.931437 -1.732841
H -4.373276 0.232908 -1.733877
H 0.017740 1.998616 -1.045206
H 3.651670 -1.307175 -0.148383
H 2.112253 2.029796 -2.386275
H 3.912697 0.372514 -1.938485
H -0.574859 -1.985301 1.698325
H -0.088204 -3.637525 3.625117
H 2.497812 -3.793787 4.201035


%chk=000191458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191458

0 1
S 3.106213 -2.503772 2.239661
O -1.870926 2.170592 -1.337482
O -0.402187 0.206468 0.743489
N -3.992309 0.204356 -1.692404
C -2.414462 1.445965 -0.163654
C -2.994248 0.076054 -0.602749
C -1.307841 1.361553 0.895666
C -3.460846 0.985342 -2.835820
C -2.888524 2.350639 -2.394437
C 0.870692 0.381139 0.160293
C 1.894886 -0.546912 0.549211
C 1.126158 1.409382 -0.775833
C 1.668213 -1.625958 1.519904
C 3.176847 -0.371266 -0.051144
C 2.412996 1.555556 -1.334376
C 3.445192 0.662429 -0.967588
C 0.490998 -2.168796 2.037455
C 0.685760 -3.249850 2.967997
C 2.017288 -3.559472 3.190936
H -3.236681 2.067474 0.269870
H -2.163311 -0.557598 -0.960561
H -3.458680 -0.436780 0.259674
H -1.775987 1.202912 1.884017
H -0.732127 2.306304 0.917398
H -4.259852 1.127733 -3.586970
H -2.653666 0.394068 -3.308302
H -2.362158 2.869063 -3.214313
H -3.703967 3.005639 -2.010671
H -4.889790 0.579730 -1.353290
H 0.303619 2.056012 -1.097220
H 3.978365 -1.072498 0.209017
H 2.599023 2.351932 -2.063253
H 4.445891 0.761321 -1.400809
H -0.486055 -1.791608 1.739555
H -0.137580 -3.780146 3.453191
H 2.451653 -4.319809 3.837542


